SCHEMBL3687782

SCHEMBL3687782

O=C(O)N1C=CC=Cc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 15/20 0.44
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
SCN4A P35499 1/20 0.43
SCN5A Q14524 1/20 0.43
SCN9A Q15858 1/20 0.43
P2RX1 P51575 5/20 0.41
P2RX3 P56373 5/20 0.41
P2RX7 Q99572 2/20 0.40
PTBP1 P26599 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MTNR1A P48039 2/20 0.35
MTNR1B P49286 2/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3691734 0.84 LMNA (0.55) P2RX4LMNATSHRMAPK1SCN4A
SCHEMBL5367306 0.84 LMNA (0.42) P2RX4LMNATSHRMAPK1SCN4A
SCHEMBL1248214 0.84 P2RX4 (0.46) P2RX4LMNATSHRMAPK1SCN4A
SCHEMBL5367522 0.81 P2RX4 (0.37) P2RX4LMNATSHRMAPK1SCN4A
SCHEMBL10653232 0.80 LMNA (0.39) P2RX4LMNATSHRMAPK1SCN4A
SCHEMBL8672568 0.76 P2RX4 (0.46) P2RX4LMNATSHRMAPK1SCN4A
SCHEMBL5172363 0.76 BCHE (0.46) P2RX4LMNATSHRMAPK1SCN4A
SCHEMBL9389647 0.75 L3MBTL1 (0.50) P2RX4LMNATSHRSMN1; SMN2KMT2A
SCHEMBL1133635 0.74 P2RX4 (0.41) P2RX4LMNATSHRMAPK1SCN4A
Hydrochloric Acid SCHEMBL29383470 0.73 P2RX4 (0.40) P2RX4LMNATSHRMAPK1SCN4A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007146230-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK & CO., INC. (US) 2007-12-21 WO claimed
EP-3052492-A1 FUSED 1,4-DIHYDRODIOXIN DERIVATIVES AS INHIBITORS OF HEAT SHOCK TRANSCRIPTION FACTOR 1 Cancer Research Technology Limited (GB) 2016-08-10 EP disclosed
WO-2015049535-A1 FUSED 1,4-DIHYDRODIOXIN DERIVATIVES AS INHIBITORS OF HEAT SHOCK TRANSCRIPTION FACTOR 1 CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2015-04-09 WO disclosed
EP-2396329-A1 Compounds for the treatment of hepatitis c Bristol-Myers Squibb Company (US) 2011-12-21 EP disclosed
WO-2010093359-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2010-08-19 WO disclosed
EP-2209789-A1 CYCLOPROPYL FUSED INDOLOBENZAZEPINE HCV NS5B INHIBITORS Bristol-Myers Squibb Company (US) 2010-07-28 EP disclosed
EP-2183252-A2 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C Bristol-Myers Squibb Company (US) 2010-05-12 EP disclosed
EP-2178878-A1 TETRACYCLIC COMPOUNDS FOR THE TREATMENT OF HEPATITIS C Bristol-Myers Squibb Company (US) 2010-04-28 EP disclosed
EP-2121694-A1 CYCLOPROPYL FUSED INDOLOBENZAZEPINE HCV NS5B INHIBITORS Bristol-Myers Squibb Company (US) 2009-11-25 EP disclosed
WO-2009067108-A1 CYCLOPROPYL FUSED INDOLOBENZAZEPINE HCV NS5B INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-05-28 WO disclosed
WO-2009029384-A2 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2009-03-05 WO disclosed
EP-2029606-A2 CYCLOPROPYL FUSED INDOLOBENZAZEPINE HCV NS5B INHIBITORS Brystol-Myers Squibb Company (US) 2009-03-04 EP disclosed
WO-2009023487-A1 TETRACYCLIC COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2009-02-19 WO disclosed
EP-1987038-A2 HCV NS5B INHIBITORS Bristol-Myers Squibb Company (US) 2008-11-05 EP disclosed
WO-2008111978-A1 CYCLOPROPYL FUSED INDOLOBENZAZEPINE HCV NS5B INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-09-18 WO disclosed
WO-2007140254-A2 CYCLOPROPYL FUSED INDOLOBENZAZEPINE HCV NS5B INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-06 WO disclosed
WO-2007092888-A2 HCV NS5B INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-08-16 WO disclosed
WO-2007033175-A1 INDOLOBENZAZEPINE HCV NS5B INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-03-22 WO disclosed